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Information card for entry 4123534
Preview
| Coordinates | 4123534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | {(PPOMeP)Ni}2(N2) |
|---|---|
| Formula | C50 H78 N2 Ni2 O2 P6 |
| Calculated formula | C50 H78 N2 Ni2 O2 P6 |
| SMILES | [Ni]12([P](OC)(c3c([P]1(C(C)C)C(C)C)cccc3)c1c([P]2(C(C)C)C(C)C)cccc1)[N]#[N][Ni]12[P](OC)(c3c([P]1(C(C)C)C(C)C)cccc3)c1c([P]2(C(C)C)C(C)C)cccc1 |
| Title of publication | Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation. |
| Authors of publication | Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 13 |
| Pages of publication | 4280 - 4283 |
| a | 18.604 ± 0.002 Å |
| b | 10.4802 ± 0.0013 Å |
| c | 29.054 ± 0.004 Å |
| α | 90° |
| β | 106.588 ± 0.004° |
| γ | 90° |
| Cell volume | 5429 ± 1.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1757 |
| Weighted residual factors for all reflections included in the refinement | 0.1933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123534.cif |
| 179037 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/35. |
4123534.cif |
| 138201 | 2015-06-05 | cif/ Updating files of 4123534, 4123535, 4123536, 4123537, 4123538, 4123539 Original log message: Adding full bibliography for 4123534--4123539.cif. |
4123534.cif |
| 134432 | 2015-03-27 | cif/ Adding structures of 4123534, 4123535, 4123536, 4123537, 4123538, 4123539 via cif-deposit CGI script. |
4123534.cif |
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Users of the data should acknowledge the original authors of the
structural data.